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Update README and CITATION Metadata #48

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Merged
Rob-Welch merged 2 commits into from
Oct 19, 2026
Merged

Update README and CITATION Metadata #48

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3a282f3
chore: update `CITATION.cff` to include all authors
harryswift01 Oct 19, 2026
b15b774
chore: update license within `CITATION.cff` to use correct one
harryswift01 Oct 19, 2026
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23 changes: 22 additions & 1 deletion CITATION.cff
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Expand Up @@ -12,6 +12,7 @@ authors:
family-names: Welch
email: robert.welch@stfc.ac.uk
affiliation: 'STFC, Scientific Computing'
orcid: 'https://orcid.org/0000-0002-0135-0112'
- given-names: Harry
family-names: Swift
email: harry.swift@stfc.ac.uk
Expand All @@ -22,6 +23,26 @@ authors:
email: jas.kalayan@stfc.ac.uk
affiliation: 'STFC, Scientific Computing'
orcid: 'https://orcid.org/0000-0002-6833-1864'
- given-names: Tom
family-names: Burnley
email: tom.burnley@stfc.ac.uk
affiliation: 'Scientific Computing Department, STFC Rutherford Appleton Laboratory, Didcot OX11 0QX, United Kingdom'
orcid: 'https://orcid.org/0000-0001-5307-348X'
- given-names: Martyn
family-names: Winn
email: martyn.winn@stfc.ac.uk
affiliation: 'Scientific Computing Department, STFC Rutherford Appleton Laboratory, Didcot OX11 0QX, United Kingdom'
orcid: 'https://orcid.org/0000-0003-0496-6796'
- given-names: James
family-names: Gebbie-Rayet
email: james.gebbie@stfc.ac.uk
affiliation: 'Scientific Computing Department, STFC Daresbury Laboratory, Warrington WA4 4AD, United Kingdom'
orcid: 'https://orcid.org/0000-0001-8271-3431'
- given-names: Sarah
family-names: Harris
email: sarah.harris@sheffield.ac.uk
affiliation: School of Mathematical and Physical Sciences, University of Sheffield, United Kingdom
orcid: 'https://orcid.org/0000-0002-2812-1651'
repository-code: 'https://github.com/CCPBioSim/prepmd'
abstract: >-
A utility to automatically prepare structures from the PDB
Expand All @@ -30,6 +51,6 @@ abstract: >-
keywords:
- PDB
- MD simulations
license: AGPL-3.0
license: LGPL-2.1
version: 1.0.2
date-released: '2026-10-19'
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